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Chemical ID: 4355262
Chemical ID:
4355262
Name [?]:
2-[(4-methoxyphenyl)sulfonyl-phenyl-amino]-N-methyl-acetamide
SMILES [?]:
CNC(=O)CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C16H18N2O4S/c1-17-16(19)12-18(13-6-4-3-5-7-13)23(20,21)15-10-8-14(22-2)9-11-15/h3-11H,12H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,23,10,9,11,8,12,18,20,17,21,5,7,19,16,3,2,6,4,14,15,22,13/E:(4,5)(6,7)(8,9)(10,11)(20,21)/CRV:23.6/rA:23cCNCOCNCCCCCCSOOCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s6;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.05423 |
Area: | 500.804 |
Solvation: | -4.46587 |
Coulombic: | -35.9701 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 334.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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